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A D V A N C E D
M A T E R I A L S
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P R O C E S S E S | J A N U A R Y
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Using high-performance computing, ORNL
researchers are modelling the atomic
structure of new alloys to select the best
candidates for physical experimentation.
SUPERCOMPUTER AND ICME
DRIVE ALLOY DESIGN
A research team from Oak Ridge
National Laboratory, Tenn., FCA US LLC,
Auburn Hills, Mich., and Nemak, Mexi-
co, is working together to create light-
weight powertrain materials that will
help the automotive industry meet its
54.5 mpg target by 2025. The ORNL-led
project is part of an initiative from
DOE’s Vehicle Technologies Office.
The team is using integrated com-
putational materials engineering (ICME)
to speed development of new high-
temperature aluminum alloys for au-
tomotive cylinder heads. ICME enables
researchers to tailor new alloys at the
atomic level to achieve desired proper-
ties such as strength and ease of man-
ufacturability. ORNL is breaking new
ground by scaling ICME to run on DOE’s
Titan supercomputer, the second fast-
est computer in the world. Using Titan’s
speed and parallel processing power,
researchers can predictively model new
alloys and select only the best candi-
dates for further experimentation. This
predictive capability dramatically re-
duces the time, energy, and resources
devoted to casting trial alloys.
The team is also verifying the com-
putational models through atomic scale
imaging and analytical chemistry mea-
surements. ORNL’s scanning transmis-
sionelectronmicroscopy andatomprobe
tomography allow researchers to identify
and examine the location and chemistry
of each atom in the alloy matrix, precip-
itates, and the interfaces between them.
In addition, ORNL and collaborators
are creating a database to capture their
aluminum alloy discoveries.
, .
METAL POWDERS COULD
REPLACE FOSSIL FUELS
Metal powders produced using
clean primary energy sources could pro-
vide a more viable long-term replace-
ment for fossil fuels than other widely
discussed alternatives, such as hydro-
gen, biofuels, or batteries, say research-
ers at McGill University, Canada. The
novel concept uses tinymetal particles—
similar in size to fine flour—to power
external combustion engines. The idea
takes advantage of an important proper-
ty of metal powders: When burned, they
react with air to form stable, nontoxic
solid-oxide products that can be collect-
ed relatively easily for recycling.
Iron could be the primary candidate
as millions of tons of iron powders are
already produced annually for various
industries. Iron is also readily recyclable
with well-established technologies, and
some novel techniques can avoid the CO2
associated with traditional iron produc-
tion from coal. .